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CHEBI:61066 - 1-O-(N-benzyloxycarbonylaminoethyl)-3-O-benzoyl-α-anthroside

ChEBI IDCHEBI:61066
ChEBI Name1-O-(N-benzyloxycarbonylaminoethyl)-3-O-benzoyl-α-anthroside
Stars
ASCII Name1-O-(N-benzyloxycarbonylaminoethyl)-3-O-benzoyl-alpha-anthroside
DefinitionA doubly-protected aminoglycoside composed of glucose deoxygenated at C-4 and C-6 and having a methyl substituent at C-2, a 3-hydroxy-3-methylbutanamide group at C-4, a benzoyl protecting group at C-3 and a benzyloxycarbonyl (Z)-protected aminoethyl group at C-1
Last Modified21 February 2011
Submitterzjosephs
DownloadsMolfile
FormulaC29H38N2O9
Net Charge0
Average Mass558.628
Monoisotopic Mass558.25773
SMILESCO[C@H]1[C@@H](OCCNC(=O)OCc2ccccc2)O[C@H](C)[C@@H](NC(=O)CC(C)(C)O)[C@@H]1OC(=O)c1ccccc1
InChIInChI=1S/C29H38N2O9/c1-19-23(31-22(32)17-29(2,3)35)24(40-26(33)21-13-9-6-10-14-21)25(36-4)27(39-19)37-16-15-30-28(34)38-18-20-11-7-5-8-12-20/h5-14,19,23-25,27,35H,15-18H2,1-4H3,(H,30,34)(H,31,32)/t19-,23-,24+,25-,27+/m1/s1
InChIKeyWJXPCJRIOGIVLM-USLKBVJRSA-N
ChEBI Ontology
Outgoing Relation(s)
1-O-(N-benzyloxycarbonylaminoethyl)-3-O-benzoyl-α-anthroside (CHEBI:61066) has functional parent D-galactopyranose (CHEBI:4139)
1-O-(N-benzyloxycarbonylaminoethyl)-3-O-benzoyl-α-anthroside (CHEBI:61066) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
benzyl [2-({3-O-benzoyl-4,6-dideoxy-4-[(3-hydroxy-3-methylbutanoyl)amino]-2-O-methyl-α-D-glucopyranosyl}oxy)ethyl]carbamate
Synonyms  Source
benzyl [2-({3-O-benzoyl-4,6-dideoxy-4-[(3-hydroxy-3-methylbutanoyl)amino]-2-O-methyl-α-D-glucosyl}oxy)ethyl]carbamateChEBI
N-benzyloxycarbonylaminoethyl 3-O-benzoyl-4,6-dideoxy-4-[(3-hydroxy-3-methylbutanoyl)amino]-2-O-methyl-α-D-glucosideChEBI
Citations